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Substance Name: Ethyl 2,5-endomethylenecyclohexanecarboxylate
RN: 61242-71-5
UNII: 05CB0V10AY
InChIKey: CIHQTYMOCREEQU-HRDYMLBCSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H16-O2

Molecular Weight

  • 168.2344
 
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Names and Synonyms

Name of Substance

  • Ethyl 2,5-endomethylenecyclohexanecarboxylate

Synonyms

  • 2,5-Endomethylene cyclohexanecarboxylic acid, ethyl ester (mixed formyl isomers)
  • BRN 4664680
  • UNII-05CB0V10AY

Systematic Name

  • 2-Norbornanecarboxylic acid, ethyl ester, endo-

Registry Numbers

CAS Registry Number

  • 61242-71-5

FDA UNII

  • 05CB0V10AY

System Generated Number

  • 0061242715

Structure Descriptors

InChI

1S/C10H16O2/c1-2-12-10(11)9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3/t7-,8+,9-/m1/s1

InChIKey

CIHQTYMOCREEQU-HRDYMLBCSA-N

Smiles

CCOC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 10mL/kg (10mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 7460uL/kg (7.46mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.